CID 5302825

4,7-dichloro-1h-imidazo[4,5-d]pyridazine

Structural Information

Molecular Formula
C5H2Cl2N4
SMILES
C1=NC2=C(N1)C(=NN=C2Cl)Cl
InChI
InChI=1S/C5H2Cl2N4/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H,8,9)
InChIKey
KDFRQLMTRRFLKG-UHFFFAOYSA-N
Compound name
4,7-dichloro-1H-imidazo[4,5-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

187.96565 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.972926 130.7
[M+Na]+ 210.954868 144.5
[M-H]- 186.958374 128.6
[M+NH4]+ 205.999473 148.7
[M+K]+ 226.928808 138.5
[M+H-H2O]+ 170.962910 123.3
[M+HCOO]- 232.963851 141.6
[M+CH3COO]- 246.979501 143.8
[M+Na-2H]- 208.940316 138.8
[M]+ 187.96510142 133.4
[M]- 187.96619858 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe